N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-4-bromobenzamide
Chemical Structure Depiction of
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-4-bromobenzamide
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-4-bromobenzamide
Compound characteristics
| Compound ID: | 2237-1505 |
| Compound Name: | N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-4-bromobenzamide |
| Molecular Weight: | 404.24 |
| Molecular Formula: | C16 H10 Br N3 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)c1nnc(NC(c2ccc(cc2)[Br])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.568 |
| logD: | 4.5239 |
| logSw: | -4.5577 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.718 |
| InChI Key: | JENJLPKEWGCDKB-UHFFFAOYSA-N |